| SpectraBase Compound ID | s5tEP5OUmV |
|---|---|
| InChI | InChI=1S/C16H22/c1-2-5-9-15(10-6-3-1)13-14-16-11-7-4-8-12-16/h4,7-8,11-15H,1-3,5-6,9-10H2/b14-13+ |
| InChIKey | PIEBLHBEZHJEQC-BUHFOSPRSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C16H22 |
| Exact Mass | 214.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38w4pqIe6QC |
|---|---|
| Name | (E)-2-Cyclooctyl-1-phenylethene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.172150708 u |
| Formula | C16H22 |
| InChI | InChI=1S/C16H22/c1-2-5-9-15(10-6-3-1)13-14-16-11-7-4-8-12-16/h4,7-8,11-15H,1-3,5-6,9-10H2/b14-13+ |
| InChIKey | PIEBLHBEZHJEQC-BUHFOSPRSA-N |
| Molecular Weight | 214.352 g/mol |
| SMILES | C1(\C=C\C=2C=CC=CC2)CCCCCCC1 |